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Name |
Benzofuran, 5-nitro- |
EINECS | N/A |
CAS No. | 18761-31-4 | Density | 1.38 g/cm3 |
PSA | 58.96000 | LogP | 2.86420 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H5NO3 | Boiling Point | 273.1 °C at 760 mmHg |
Molecular Weight | 163.133 | Flash Point | 119 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Nitro-[2,3]-benzofuran;5-Nitrobenzofuran; |
Article Data | 11 |
The Benzofuran, 5-nitro-, with CAS registry number 18761-31-4, has the systematic name of 5-nitro-1-benzofuran. Besides this, it is also called 5-Nitrobenzofuran. And the chemical formula of this chemical is C8H5NO3.
Physical properties of Benzofuran, 5-nitro-: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 39.27; (6)ACD/BCF (pH 7.4): 39.27; (7)ACD/KOC (pH 5.5): 481.52; (8)ACD/KOC (pH 7.4): 481.52; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.96 Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 42.94 cm3; (15)Molar Volume: 118.1 cm3; (16)Polarizability: 17.02×10-24cm3; (17)Surface Tension: 54.1 dyne/cm; (18)Density: 1.38 g/cm3; (19)Flash Point: 119 °C; (20)Enthalpy of Vaporization: 49.09 kJ/mol; (21)Boiling Point: 273.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00974 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cc1c(occ1)cc2
(2)InChI: InChI=1/C8H5NO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
(3)InChIKey: LPMMCJSIUVQZFD-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H5NO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
(5)Std. InChIKey: LPMMCJSIUVQZFD-UHFFFAOYSA-N